SCHEMBL11150421

SCHEMBL11150421

COc1cccc(C2(O)CCCCC2CN(C)Cc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.74
SLC6A4 P31645 10/20 0.74
OPRM1 P35372 8/20 0.74
OPRK1 P41145 6/20 0.74
OPRD1 P41143 4/20 0.74
SLC22A1 O15245 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CHRM2 P08172 1/20 0.74
CHRM1 P11229 1/20 0.74
HTR3A P46098 2/20 0.53
HTR4 Q13639 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12233993 0.91 SLC6A2 (0.72) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL11155426 0.91 SLC6A2 (0.72) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL15920337 0.87 SLC6A2 (0.81) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL405854 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL429520 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL7141021 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL7137387 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL41748 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL1377516 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1
Tramadol SCHEMBL405855 0.87 SLC6A2 (0.98) SLC6A2SLC6A4OPRM1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010717-B1 6,7-CYCLOALKANO-1,4-OXAZEPINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-09-21 EP disclosed
US-4336263-A 1,4-Cycloalkano-oxazepines, salts thereof and analgesic uses thereof BASF AKTIENGESELLSCHAFT (DE) 1982-06-22 US disclosed
EP-0020515-A1 NOVEL 1,4-CYCLO-ALKANO-OXAZEPINES,THEIR PROCESS OF MANUFACTURE, PHARMACEUTICALS CONTAINING THEM AND THEIR UTILISATION BASF Aktiengesellschaft (DE) 1981-01-07 EP disclosed
EP-0010717-A1 6,7-Cycloalkano-1,4-oxazepines, process for their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed
WO-1980000838-A1 NOVEL 1,4-CYCLO-ALKANO-OXAZEPINES,THEIR PROCESS OF MANUFACTURE,PHARMACEUTICALS CONTAINING THEM AND THEIR UTILISATION BASF AG (DE) 1980-05-01 WO disclosed